SCHEMBL3636732

SCHEMBL3636732

O=C(O)c1cc2ccc(-c3cccc(OC(F)(F)F)c3)cc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.56
RHEB Q15382 2/20 0.51
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
DAO P14920 1/20 0.46
HPGD P15428 1/20 0.46
SRD5A2 P31213 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
SLC13A5 Q86YT5 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
XDH P47989 1/20 0.44
EIF4A3 P38919 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29457828 0.85 KDM4E (0.56) RHEBKDM4EMAPTDAOHPGD
SCHEMBL17310806 0.85 KDM4E (0.56) RHEBKDM4EMAPTDAOHPGD
SCHEMBL3389181 0.79 HSD17B10 (0.66) DHODHRHEBKDM4EMAPTDAO
SCHEMBL3643396 0.77 SMAD3 (0.55) DHODHRHEBKDM4EMAPTDAO
SCHEMBL2931171 0.77 KDM4E (0.71) RHEBKDM4EMAPTDAOHPGD
SCHEMBL29784241 0.76 RXRA (0.61) DHODHFFAR1FFAR4SLC13A5
SCHEMBL505417 0.76 RXRA (0.61) DHODHFFAR1FFAR4SLC13A5
SCHEMBL27669939 0.74 KMT2A (0.55) KDM4EMAPTKMT2AGAAHDAC6
SCHEMBL7493915 0.74 KDM4E (0.61) RHEBKDM4EMAPTDAOHPGD
SCHEMBL30071390 0.74 KDM4E (0.61) RHEBKDM4EMAPTDAOHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP claimed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US claimed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO claimed
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP disclosed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US disclosed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR PTGER2, PTGER1, PTGDR2 DHODH 2634/4885RHEB 3847/4885FFAR1 80/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.